[4-(3-ethyl-3-methylpentyl)piperazin-1-yl]-(furan-2-yl)methanone

C17H28N2O2 — CID 71096247

IUPAC[4-(3-ethyl-3-methylpentyl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESCCC(C)(CC)CCN1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C17H28N2O2/c1-4-17(3,5-2)8-9-18-10-12-19(13-11-18)16(20)15-7-6-14-21-15/h6-7,14H,4-5,8-13H2,1-3H3
InChIKeyUIDOKXVIMXTYAU-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.25
Rot. Bonds6

About [4-(3-ethyl-3-methylpentyl)piperazin-1-yl]-(furan-2-yl)methanone

[4-(3-ethyl-3-methylpentyl)piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 71096247) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is [4-(3-ethyl-3-methylpentyl)piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-(3-ethyl-3-methylpentyl)piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID71096247
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name[4-(3-ethyl-3-methylpentyl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESCCC(C)(CC)CCN1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C17H28N2O2/c1-4-17(3,5-2)8-9-18-10-12-19(13-11-18)16(20)15-7-6-14-21-15/h6-7,14H,4-5,8-13H2,1-3H3
InChIKeyUIDOKXVIMXTYAU-UHFFFAOYSA-N
XLogP3.25
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-(3-ethyl-3-methylpentyl)piperazin-1-yl]-(furan-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(furan-2-carbonyl)piperazin-1-yl]butan-2-one
CID 82131455
furan-2-yl-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]methanone
CID 95344609
furan-2-yl-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 113073228
N-tert-butyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 26495641
furan-2-yl-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 94897133
1-[4-(2-aminoethyl)piperazin-1-yl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethane-1,2-dione
CID 108518065
furan-2-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 21026314
tert-butyl 4-(furan-2-carbonyl)piperazine-1-carboxylate
CID 2980350
2-ethyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]butanamide
CID 110397647
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]furan-2-carboxamide
CID 4051467
N'-acetyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetohydrazide
CID 8548952
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2,2-dimethyl-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958407

Frequently Asked Questions

What is the IUPAC name of [4-(3-ethyl-3-methylpentyl)piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-(3-ethyl-3-methylpentyl)piperazin-1-yl]-(furan-2-yl)methanone (CID 71096247) is [4-(3-ethyl-3-methylpentyl)piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-(3-ethyl-3-methylpentyl)piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-(3-ethyl-3-methylpentyl)piperazin-1-yl]-(furan-2-yl)methanone is CCC(C)(CC)CCN1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of [4-(3-ethyl-3-methylpentyl)piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is UIDOKXVIMXTYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-4-17(3,5-2)8-9-18-10-12-19(13-11-18)16(20)15-7-6-14-21-15/h6-7,14H,4-5,8-13H2,1-3H3.
What are the key properties of [4-(3-ethyl-3-methylpentyl)piperazin-1-yl]-(furan-2-yl)methanone?
[4-(3-ethyl-3-methylpentyl)piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 292.42 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-ethyl-3-methylpentyl)piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 71096247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).